Molecule

ID:44013

General Information
Structure
MolImage
Molecular Formula
C₁₁H₈ClF₃N₂O₂
Molecular Mass
292.6416296
Exact Mass
292.02263985
Charge
0
InChI
InChI=1S/C11H8ClF3N2O2/c1-2-19-10(18)8-9(12)17-5-6(11(13,14)15)3-4-7(17)16-8/h3-5H,2H2,1H3
InChIKey
BLEWMQFKCIOCPC-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1nc2n(c1Cl)cc(cc2)C(F)(F)F
Isomeric Smiles
c1(cn2c(cc1)nc(c2Cl)C(=O)OCC)C(F)(F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.5017037
LogD (pH = 7.4)
2.5025773
Log P
2.5025885
Molar Refractivity
63.1179
Polarizability
22.910902
Polar Surface Area
43.6
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
暂无数据
点击上传数据
References
Bioactivity
Navigation